SCHEMBL4626498

SCHEMBL4626498

N=C(N)c1cccc(C[C@]2(OC(=O)C(F)(F)F)CCN(C(N)=O)C2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
F10 P00742 13/20 0.36
F2 P00734 6/20 0.36
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7379895 0.75 HSP90AB1 (0.35) F10
SCHEMBL7374815 0.75 SLC22A12 (0.31)
SCHEMBL7375448 0.72 NCF1 (0.32)
SCHEMBL7379899 0.70 KLKB1 (0.33) F10F2
SCHEMBL7382750 0.67
SCHEMBL7375870 0.66
SCHEMBL7419574 0.64 PLG (0.39) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL3316767 0.62 PRSS1 (0.54) PRSS1PRSS2PRSS3F10F2
Trifluoroacetic Acid SCHEMBL4397854 0.61 F10 (0.46) PRSS1PRSS2PRSS3F10F2
Trifluoroacetic Acid SCHEMBL7476153 0.61 F10 (0.53) PRSS1PRSS2PRSS3F10F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed